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Green's functions for open-shell atoms and molecules

โœ Scribed by Cederbaum, L. S. ;Schirmer, J.


Publisher
Springer-Verlag
Year
1974
Weight
501 KB
Volume
271
Category
Article
ISSN
0044-3328

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Spin-coupled wave functions for atoms an
โœ J. Gerratt; W. N. Lipscomb ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 124 KB

xpressions are derived for matrix elements of Et he Hamiltonian operator for spin-coupled wave functions in molecular systems having an even number of electrons. Orthogonality of spatial orbitals is not assumed, and the coupling scheme can be specified at will. Relations to other methods are noted b